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22 similar compounds to monomer 50440151

Wt: 421.5
BDBM50440140
Wt: 421.5
BDBM50440145
Wt: 407.4
BDBM50440146
Wt: 407.4
BDBM50440147
Wt: 435.5
BDBM50440155
Wt: 524.6
BDBM50440172
Wt: 475.6
BDBM50440173
Wt: 461.6
BDBM50440174
Wt: 432.5
BDBM50440175
Wt: 447.5
BDBM50440176
Wt: 461.6
BDBM50440177
Wt: 403.5
BDBM50440178
Wt: 477.6
BDBM50440179
Wt: 494.6
BDBM50440181
Wt: 435.5
BDBM50440182
Displayed 1 to 15 (of 22 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50440140,50440145,50440146,50440147,50440155,50440172,50440173,50440174,50440175,50440176,50440177,50440178,50440179,50440181,50440182   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Deoxycytidine kinase


(Homo sapiens)
BDBM50440176
PNG
(CHEMBL2426570)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)
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0.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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0.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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0.5n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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0.800n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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0.800n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440181
PNG
(CHEMBL2426565)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
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1.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440179
PNG
(CHEMBL2426567)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
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2n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440178
PNG
(CHEMBL2426568)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)
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8.90n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK by steady-state kinetic assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440140
PNG
(CHEMBL2426588)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1
Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
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9.5n/an/an/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK (unknown origin) by steady-state kinetic assay


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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n/an/a 4.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440174
PNG
(CHEMBL2426572)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)O)c1
Show InChI InChI=1S/C21H27N5O3S2/c1-4-5-17-14(11-30-21-25-18(22)9-19(23)26-21)24-20(31-17)13-6-7-15(28-3)16(8-13)29-10-12(2)27/h6-9,12,27H,4-5,10-11H2,1-3H3,(H4,22,23,25,26)
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n/an/a 2.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440175
PNG
(CHEMBL2426571)
Show SMILES CCCc1sc(nc1CSc1nccc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H24N4O3S2/c1-3-4-17-14(12-28-20-22-8-7-18(21)24-20)23-19(29-17)13-5-6-15(26-2)16(11-13)27-10-9-25/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H2,21,22,24)
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n/an/a 2.90n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440176
PNG
(CHEMBL2426570)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440177
PNG
(CHEMBL2426569)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCCO)c1
Show InChI InChI=1S/C21H27N5O3S2/c1-3-5-17-14(12-30-21-25-18(22)11-19(23)26-21)24-20(31-17)13-6-7-15(28-2)16(10-13)29-9-4-8-27/h6-7,10-11,27H,3-5,8-9,12H2,1-2H3,(H4,22,23,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440178
PNG
(CHEMBL2426568)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440179
PNG
(CHEMBL2426567)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
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n/an/a 2.60n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440181
PNG
(CHEMBL2426565)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
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n/an/a 12n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440182
PNG
(CHEMBL2426564)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cc(F)cc(OCCO)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-2-3-15-14(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-6-12(20)8-13(7-11)27-5-4-26/h6-9,26H,2-5,10H2,1H3,(H4,21,22,24,25)
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n/an/a 2.80n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440155
PNG
(CHEMBL2426598)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-3-15-12(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-13(26-2)14(8-11)27-7-6-20/h4-5,8-9H,3,6-7,10H2,1-2H3,(H4,21,22,24,25)
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n/an/a 7n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440179
PNG
(CHEMBL2426567)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
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n/an/a 0.900n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440179
PNG
(CHEMBL2426567)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OCCO)c(OCCO)c1
Show InChI InChI=1S/C21H27N5O4S2/c1-2-3-17-14(12-31-21-25-18(22)11-19(23)26-21)24-20(32-17)13-4-5-15(29-8-6-27)16(10-13)30-9-7-28/h4-5,10-11,27-28H,2-3,6-9,12H2,1H3,(H4,22,23,25,26)
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n/an/a 18n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440181
PNG
(CHEMBL2426565)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
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n/an/a 12n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440181
PNG
(CHEMBL2426565)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1cccc(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C20H26N6O3S3/c1-3-5-16-15(12-30-20-25-17(21)11-18(22)26-20)24-19(31-16)13-6-4-7-14(10-13)29-9-8-23-32(2,27)28/h4,6-7,10-11,23H,3,5,8-9,12H2,1-2H3,(H4,21,22,25,26)
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n/an/a 17n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440176
PNG
(CHEMBL2426570)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)
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n/an/a 1.20n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440176
PNG
(CHEMBL2426570)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCO)c1
Show InChI InChI=1S/C20H25N5O3S2/c1-3-4-16-13(11-29-20-24-17(21)10-18(22)25-20)23-19(30-16)12-5-6-14(27-2)15(9-12)28-8-7-26/h5-6,9-10,26H,3-4,7-8,11H2,1-2H3,(H4,21,22,24,25)
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n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440178
PNG
(CHEMBL2426568)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 19n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440178
PNG
(CHEMBL2426568)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C18H21N5O2S2/c1-3-4-14-11(9-26-18-22-15(19)8-16(20)23-18)21-17(27-14)10-5-6-13(25-2)12(24)7-10/h5-8,24H,3-4,9H2,1-2H3,(H4,19,20,22,23)
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n/an/a 26n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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n/an/a 4.90n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440172
PNG
(CHEMBL2426574)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCNS(C)(=O)=O)c1
Show InChI InChI=1S/C21H28N6O4S3/c1-4-5-17-14(12-32-21-26-18(22)11-19(23)27-21)25-20(33-17)13-6-7-15(30-2)16(10-13)31-9-8-24-34(3,28)29/h6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H4,22,23,26,27)
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n/an/a 14n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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n/an/a 1.40n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of [3H]-dC uptake by scintillation counting analysis


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Mus musculus)
BDBM50440147
PNG
(CHEMBL2426581)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-13-6-10(2-3-12(13)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 808n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440146
PNG
(CHEMBL2426582)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 538n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Mus musculus)
BDBM50440145
PNG
(CHEMBL2426583)
Show SMILES CCOc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C18H20FN5O2S2/c1-2-25-13-4-3-11(7-14(13)26-6-5-19)17-22-12(9-27-17)10-28-18-23-15(20)8-16(21)24-18/h3-4,7-9H,2,5-6,10H2,1H3,(H4,20,21,23,24)
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n/an/a 513n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Mus musculus)
BDBM50440140
PNG
(CHEMBL2426588)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1
Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
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n/an/a 35n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Mus musculus)
BDBM50440155
PNG
(CHEMBL2426598)
Show SMILES CCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCCF)c1
Show InChI InChI=1S/C19H22FN5O2S2/c1-3-15-12(10-28-19-24-16(21)9-17(22)25-19)23-18(29-15)11-4-5-13(26-2)14(8-11)27-7-6-20/h4-5,8-9H,3,6-7,10H2,1-2H3,(H4,21,22,24,25)
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n/an/a 30n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in mouse L1210 cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440147
PNG
(CHEMBL2426581)
Show SMILES COc1cc(ccc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-13-6-10(2-3-12(13)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 421n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens)
BDBM50440146
PNG
(CHEMBL2426582)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C17H18FN5O2S2/c1-24-12-3-2-10(6-13(12)25-5-4-18)16-21-11(8-26-16)9-27-17-22-14(19)7-15(20)23-17/h2-3,6-8H,4-5,9H2,1H3,(H4,19,20,22,23)
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n/an/a 230n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440173
PNG
(CHEMBL2426573)
Show SMILES CCCc1sc(nc1CSc1nc(N)cc(N)n1)-c1ccc(OC)c(OCC(C)(C)O)c1
Show InChI InChI=1S/C22H29N5O3S2/c1-5-6-17-14(11-31-21-26-18(23)10-19(24)27-21)25-20(32-17)13-7-8-15(29-4)16(9-13)30-12-22(2,3)28/h7-10,28H,5-6,11-12H2,1-4H3,(H4,23,24,26,27)
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n/an/a 15n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Apparent inhibition of human dCK assessed as phosphorylation activity by spectroscopic NADH-dependent enzyme-coupled assay


J Med Chem 57: 9480-94 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440140
PNG
(CHEMBL2426588)
Show SMILES COc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)c(C)s1
Show InChI InChI=1S/C18H20FN5O2S2/c1-10-12(9-27-18-23-15(20)8-16(21)24-18)22-17(28-10)11-3-4-13(25-2)14(7-11)26-6-5-19/h3-4,7-8H,5-6,9H2,1-2H3,(H4,20,21,23,24)
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n/an/a 18n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Deoxycytidine kinase


(Homo sapiens)
BDBM50440145
PNG
(CHEMBL2426583)
Show SMILES CCOc1ccc(cc1OCCF)-c1nc(CSc2nc(N)cc(N)n2)cs1
Show InChI InChI=1S/C18H20FN5O2S2/c1-2-25-13-4-3-11(7-14(13)26-6-5-19)17-22-12(9-27-17)10-28-18-23-15(20)8-16(21)24-18/h3-4,7-9H,2,5-6,10H2,1H3,(H4,20,21,23,24)
PDB
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n/an/a 251n/an/an/an/an/an/a



California NanoSystems Institute

Curated by ChEMBL


Assay Description
Inhibition of dCK in human CCRF-CEM cells assessed as inhibition of tritiated deoxycytidine [3H]-dC uptake


J Med Chem 56: 6696-708 (2013)

More data for this
Ligand-Target Pair